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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201525

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1201525
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Na', 'Mo', 'H', 'O', 'F']
  • Chemical System: F-H-Mo-Na-O
  • Density: 2.8492597928739025
  • Atomic Density: 0.076850614041704
  • Unit Cell Volume: 624.5883731514775
  • Molar Volume: 7.83616479203667
  • Full Formula: Na8 Mo4 H8 O12 F16
  • Reduced Formula: Na2MoH2O3F4
  • Formula Anonymous: AB2C2D3E4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -281.38363174
  • Final energy per atom: -5.862158994583333
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.